[8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate

C58H48F2N6O5 — CID 135368774

IUPAC[8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2cccc(C)c2)nc2c(Cc3cccc(F)c3)nc(-c3ccccc3)cn12.COc1cccc(Cc2nc3c(Cc4cccc(F)c4)nc(-c4ccccc4)cn3c2OC(C)=O)c1
InChIInChI=1S/C29H24FN3O3.C29H24FN3O2/c1-19(34)36-29-26(17-21-9-7-13-24(15-21)35-2)32-28-25(16-20-8-6-12-23(30)14-20)31-27(18-33(28)29)22-10-4-3-5-11-22;1-19-8-6-9-21(14-19)17-26-29(35-20(2)34)33-18-27(23-11-4-3-5-12-23)31-25(28(33)32-26)16-22-10-7-13-24(30)15-22/h3-15,18H,16-17H2,1-2H3;3-15,18H,16-17H2,1-2H3
InChIKeyNVZGQIGNNLYTCK-UHFFFAOYSA-N
MW947.06 g/mol
LogP11.60
Rot. Bonds13

About [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate

[8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135368774) has the molecular formula C58H48F2N6O5 and a molecular weight of 947.06 g/mol. Its IUPAC name is [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID135368774
Molecular FormulaC58H48F2N6O5
Molecular Weight947.06 g/mol
Exact Mass946.37
IUPAC Name[8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2cccc(C)c2)nc2c(Cc3cccc(F)c3)nc(-c3ccccc3)cn12.COc1cccc(Cc2nc3c(Cc4cccc(F)c4)nc(-c4ccccc4)cn3c2OC(C)=O)c1
InChIInChI=1S/C29H24FN3O3.C29H24FN3O2/c1-19(34)36-29-26(17-21-9-7-13-24(15-21)35-2)32-28-25(16-20-8-6-12-23(30)14-20)31-27(18-33(28)29)22-10-4-3-5-11-22;1-19-8-6-9-21(14-19)17-26-29(35-20(2)34)33-18-27(23-11-4-3-5-12-23)31-25(28(33)32-26)16-22-10-7-13-24(30)15-22/h3-15,18H,16-17H2,1-2H3;3-15,18H,16-17H2,1-2H3
InChIKeyNVZGQIGNNLYTCK-UHFFFAOYSA-N
XLogP11.60
TPSA122.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.06
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate with MolForge

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Related Compounds

[8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364755
[2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 142461559
[8-benzyl-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364704
[8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135367992
[2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364502
[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364833
[8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368245
[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364458
[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364610
[8-benzyl-6-phenyl-2-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364681
[8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 146503597
[8-benzyl-2-[(5-ethyl-4-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368183

Frequently Asked Questions

What is the IUPAC name of [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (CID 135368774) is [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2cccc(C)c2)nc2c(Cc3cccc(F)c3)nc(-c3ccccc3)cn12.COc1cccc(Cc2nc3c(Cc4cccc(F)c4)nc(-c4ccccc4)cn3c2OC(C)=O)c1.
What is the InChIKey of [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is NVZGQIGNNLYTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O3.C29H24FN3O2/c1-19(34)36-29-26(17-21-9-7-13-24(15-21)35-2)32-28-25(16-20-8-6-12-23(30)14-20)31-27(18-33(28)29)22-10-4-3-5-11-22;1-19-8-6-9-21(14-19)17-26-29(35-20(2)34)33-18-27(23-11-4-3-5-12-23)31-25(28(33)32-26)16-22-10-7-13-24(30)15-22/h3-15,18H,16-17H2,1-2H3;3-15,18H,16-17H2,1-2H3.
What are the key properties of [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
[8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 947.06 g/mol, XLogP of 11.60, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135368774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).